4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol

C15H23NO3 — CID 82188692

IUPAC4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCCCCN(C)C1c2cccc(OC)c2OCC1O
InChIInChI=1S/C15H23NO3/c1-4-5-9-16(2)14-11-7-6-8-13(18-3)15(11)19-10-12(14)17/h6-8,12,14,17H,4-5,9-10H2,1-3H3
InChIKeyJRTJXXGDXMZWOR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds5

About 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol

4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188692) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188692
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCCCCN(C)C1c2cccc(OC)c2OCC1O
InChIInChI=1S/C15H23NO3/c1-4-5-9-16(2)14-11-7-6-8-13(18-3)15(11)19-10-12(14)17/h6-8,12,14,17H,4-5,9-10H2,1-3H3
InChIKeyJRTJXXGDXMZWOR-UHFFFAOYSA-N
XLogP2.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187052
4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188689
(3S)-N,N-dibutyl-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 129411882
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol
CID 82188571
ethyl 2-[[[(3R,4S)-3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-chromen-4-yl]-methylcarbamothioyl]amino]acetate
CID 7020288
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 6610472
1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
CID 101342444
1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82187050
2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 83912173
2-bromo-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 167513731

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol (CID 82188692) is 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol is CCCCN(C)C1c2cccc(OC)c2OCC1O.
What is the InChIKey of 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is JRTJXXGDXMZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-9-16(2)14-11-7-6-8-13(18-3)15(11)19-10-12(14)17/h6-8,12,14,17H,4-5,9-10H2,1-3H3.
What are the key properties of 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol?
4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 265.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).